5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide

C20H15ClF2N2O3 — CID 134051645

IUPAC5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H15ClF2N2O3/c1-24-20(27)18(11-6-7-14(22)15(23)10-11)25-19(26)17-9-8-16(28-17)12-4-2-3-5-13(12)21/h2-10,18H,1H3,(H,24,27)(H,25,26)
InChIKeyCKKLHOBXVVASDV-UHFFFAOYSA-N
MW404.80 g/mol
LogP4.10
Rot. Bonds5

About 5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 134051645) has the molecular formula C20H15ClF2N2O3 and a molecular weight of 404.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID134051645
Molecular FormulaC20H15ClF2N2O3
Molecular Weight404.80 g/mol
Exact Mass404.07
IUPAC Name5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H15ClF2N2O3/c1-24-20(27)18(11-6-7-14(22)15(23)10-11)25-19(26)17-9-8-16(28-17)12-4-2-3-5-13(12)21/h2-10,18H,1H3,(H,24,27)(H,25,26)
InChIKeyCKKLHOBXVVASDV-UHFFFAOYSA-N
XLogP4.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide
CID 78834572
(E)-3-(2,6-dichlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 78841512
(2R)-2-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119368356
5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 16560702
2-chloro-N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55483282
5-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 1292402
5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)furan-2-carboxamide
CID 18161050
5-(2-chlorophenyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 9072315
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 134051659
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide
CID 55501489

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide (CID 134051645) is 5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccc(F)c(F)c1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is CKKLHOBXVVASDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O3/c1-24-20(27)18(11-6-7-14(22)15(23)10-11)25-19(26)17-9-8-16(28-17)12-4-2-3-5-13(12)21/h2-10,18H,1H3,(H,24,27)(H,25,26).
What are the key properties of 5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 404.80 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 134051645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).